Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2065788 | 0.82 | CMA1 (0.42) | CMA1GSK3AGSK3BSCN9AHDAC6 | |
| SCHEMBL4349583 | 0.81 | CMA1 (0.44) | CMA1GSK3AGSK3BSCN9AHDAC6 | |
| SCHEMBL2066205 | 0.80 | PTGDR2 (0.37) | PTGDR2KMT2A | |
| SCHEMBL2064729 | 0.76 | PTGDR2 (0.36) | PTGDR2MEN1KMT2AKDM4E | |
| SCHEMBL2065684 | 0.72 | ALDH1A1 (0.56) | CMA1GSK3AGSK3BHDAC6TDP1 | |
| SCHEMBL13793190 | 0.69 | CMA1 (0.42) | CMA1OPRM1GSK3AGSK3BHTR1A | |
| SCHEMBL7449650 | 0.69 | CMA1 (0.56) | CMA1GSK3AGSK3BTDP1HTR1A | |
| SCHEMBL7503526 | 0.68 | CMA1 (0.59) | CMA1OPRM1GSK3AGSK3BHTR1A | |
| SCHEMBL6758440 | 0.66 | ATM (0.46) | PTGDR2ALDH1A1KMT2A | |
| SCHEMBL4383512 | 0.66 | ATM (0.46) | PTGDR2ALDH1A1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134342-B1 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-01-30 | — | — | EP | disclosed |
| EP-2134342-A2 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008112159-A2 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-09-18 | — | — | WO | disclosed |